5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide

C11H17N3O2 — CID 63628731

IUPAC5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCC1CCNC1
InChIInChI=1S/C11H17N3O2/c1-8-10(7-14-16-8)11(15)13-5-3-9-2-4-12-6-9/h7,9,12H,2-6H2,1H3,(H,13,15)
InChIKeyFTWGXXXJGQKXAV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.71
Rot. Bonds4

About 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide

5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 63628731) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
PubChem CID63628731
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCC1CCNC1
InChIInChI=1S/C11H17N3O2/c1-8-10(7-14-16-8)11(15)13-5-3-9-2-4-12-6-9/h7,9,12H,2-6H2,1H3,(H,13,15)
InChIKeyFTWGXXXJGQKXAV-UHFFFAOYSA-N
XLogP0.71
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63622674
2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119537084
5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 115026867
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
5-methyl-N-(2-piperidin-3-ylethyl)-1,3-oxazole-4-carboxamide
CID 119558239
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43594338
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63630234
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119535618

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide (CID 63628731) is 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCCC1CCNC1.
What is the InChIKey of 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is FTWGXXXJGQKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-10(7-14-16-8)11(15)13-5-3-9-2-4-12-6-9/h7,9,12H,2-6H2,1H3,(H,13,15).
What are the key properties of 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide?
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 63628731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).